6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine

C14H13N5 — CID 114287525

IUPAC6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCn1nc(-c2ccccc2)nc1-c1ccc(N)cn1
InChIInChI=1S/C14H13N5/c1-19-14(12-8-7-11(15)9-16-12)17-13(18-19)10-5-3-2-4-6-10/h2-9H,15H2,1H3
InChIKeyMSYHBLVNQKNLEG-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.13
Rot. Bonds2

About 6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine

6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine (PubChem CID 114287525) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
PubChem CID114287525
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCn1nc(-c2ccccc2)nc1-c1ccc(N)cn1
InChIInChI=1S/C14H13N5/c1-19-14(12-8-7-11(15)9-16-12)17-13(18-19)10-5-3-2-4-6-10/h2-9H,15H2,1H3
InChIKeyMSYHBLVNQKNLEG-UHFFFAOYSA-N
XLogP2.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62721289
2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62947082
2-methyl-5-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62733002
5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine
CID 59252470
6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
CID 90184798
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62721278
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 62733376
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64672697
2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62723069
4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one
CID 167843149
ethane;6-(4-methylphenyl)pyridin-3-amine
CID 145467469

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The IUPAC name of 6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine (CID 114287525) is 6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine.
What is the SMILES notation for 6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The canonical SMILES for 6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine is Cn1nc(-c2ccccc2)nc1-c1ccc(N)cn1.
What is the InChIKey of 6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The InChIKey is MSYHBLVNQKNLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-19-14(12-8-7-11(15)9-16-12)17-13(18-19)10-5-3-2-4-6-10/h2-9H,15H2,1H3.
What are the key properties of 6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine has a molecular weight of 251.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 114287525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).